Geometry & MOs

Info

ID:	398044
PubChem CID:	135031466
Reduced:	BF3H4C6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	441.02997
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	12.92
IP(EA), eV:	-10.91(-3.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(N-acetyl-3-bromoanilino)-3,5,6-trifluoropyridin-2-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

[B-](C1=CC=[C+]C=C1)(F)(F)F

DOS

IR

Vibrations